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Metallic bands in chevron-type polyacenes

We present electronic structure calculations based on a single-parameter plane wave expansion method for basic graphene building blocks, namely n-oligophenylenes and n-oligoacenes, revealing excellent agreement with density-functional theory. When oligophenylene molecules are joined through meta (zi...

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Detalles Bibliográficos
Autores principales:	Kher-Elden, Mohammed A., Piquero-Zulaica, Ignacio, Abd El-Aziz, Kamel M., Ortega, J. Enrique, Abd El-Fattah, Zakaria M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9528856/ https://www.ncbi.nlm.nih.gov/pubmed/36303597 http://dx.doi.org/10.1039/d0ra06007k

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